%chk=000055334.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055334

0 1
 S    3.392700      -1.426600       1.092900    
 O   0.5510000      4.1499998E-02  -1.078600    
 O   -1.293000       1.735700      -2.345100    
 O  -7.4699998E-02  -2.433100     -0.4507000    
 O    1.365000      -3.665400      0.8409000    
 N   -3.477700      0.4458000      0.3519000    
 C    2.783600       2.141500     -0.6380000    
 C    4.204600       2.718100     -0.5380000    
 C    2.720400      0.7311000     -0.1391000    
 C    4.851200       2.397700      0.8177000    
 C    4.979100      0.8830000       1.045000    
 C    3.718200      0.1831000      0.6445000    
 C    1.663800     -0.2021000     -0.3626000    
 C   -4.682600      0.9846000      0.9678000    
 C   -1.717700      0.7916000      -1.357900    
 C   -2.990800       1.328500     -0.6995000    
 C    1.902000      -1.413600      0.2500000    
 C  -0.5732000      0.5716000     -0.3712000    
 C   -5.777600       1.127000     -9.5899999E-02
 C   -4.352200       2.354300       1.570200    
 C   -5.140400      2.2399999E-02   2.069200    
 C    1.095600      -2.591800      0.2653000    
 C  -0.9680000      -3.551200     -0.5067000    
 C   -2.179400      -3.173700      -1.332300    
 H    2.101700       2.754900     -3.5999998E-02
 H    2.440500       2.195300      -1.677500    
 H    4.170200       3.802800     -0.6899000    
 H    4.827800       2.301200      -1.339600    
 H    5.842400       2.860900      0.8792000    
 H    4.241900       2.838400       1.617300    
 H    5.807400      0.4951000      0.4394000    
 H    5.219500      0.6921000       2.097000    
 H   -1.933600     -0.1412000      -1.891100    
 H   -3.717200       1.463300      -1.507800    
 H   -2.741800       2.327900     -0.3280000    
 H   -3.666600     -0.4766000     -3.8300000E-02
 H  -0.2816000       1.529700      7.7100001E-02
 H  -0.8651000     -0.1162000      0.4294000    
 H   -5.609300       1.956700     -0.7903000    
 H   -5.901100      0.2060000     -0.6782000    
 H   -6.743900       1.330200      0.3827000    
 H   -5.161500       2.677200       2.237300    
 H   -3.438700       2.323200       2.176400    
 H   -4.249600       3.149900      0.8247000    
 H   -6.041800      0.3936000       2.570100    
 H   -4.366200     -0.1047000       2.835100    
 H   -5.373800     -0.9689000       1.663100    
 H  -0.4784000       1.388700      -2.747600    
 H  -0.4544000      -4.401000     -0.9691000    
 H   -1.278400      -3.821000      0.5086000    
 H   -2.713300      -2.339300     -0.8702000    
 H   -1.879500      -2.847600      -2.333500    
 H   -2.866600      -4.019200      -1.425700    


%chk=000055334-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055334

0 1
S 3.527626 -1.169319 1.415360
O 0.613062 0.529539 -0.796356
O -0.968980 2.787250 -1.390435
O -0.212498 -2.204377 0.306974
O 1.256831 -3.094607 1.889875
N -3.770526 0.542871 -0.394409
C 3.089702 2.094746 -1.060542
C 4.580032 2.469717 -1.261571
C 2.948442 0.836548 -0.227400
C 5.379098 2.354777 0.059568
C 5.388469 0.892901 0.583753
C 4.000285 0.311127 0.508868
C 1.725425 0.075147 -0.089814
C -5.021651 0.589183 0.437444
C -1.568738 1.481784 -1.067825
C -2.964253 1.783451 -0.492853
C 1.843873 -1.060180 0.732021
C -0.690942 0.709182 -0.085471
C -5.973539 1.752689 0.026369
C -4.636749 0.725004 1.932199
C -5.742376 -0.764013 0.219653
C 0.974672 -2.189785 1.056915
C -1.130922 -3.352484 0.581187
C -2.315871 -3.193462 -0.366722
H 2.556680 2.929986 -0.559997
H 2.595351 1.952501 -2.040264
H 4.653205 3.497058 -1.664390
H 5.031110 1.793469 -2.015002
H 6.419981 2.697445 -0.089031
H 4.922689 3.015409 0.822767
H 6.082922 0.281326 -0.028692
H 5.774687 0.858604 1.620371
H -1.665595 0.874186 -1.995645
H -3.413706 2.572352 -1.136536
H -2.845206 2.220727 0.514686
H -3.994228 0.186850 -1.336770
H -0.503894 1.303027 0.830948
H -1.126169 -0.269571 0.159444
H -5.485379 2.735846 0.155067
H -6.278230 1.655779 -1.033300
H -6.888858 1.749056 0.646977
H -5.534985 0.627655 2.568567
H -3.917312 -0.065374 2.210019
H -4.178754 1.705880 2.154590
H -6.672093 -0.809482 0.814001
H -5.089581 -1.601920 0.522344
H -6.015308 -0.903720 -0.844998
H -0.018720 2.616324 -1.621558
H -0.571364 -4.290545 0.415968
H -1.428088 -3.313855 1.645226
H -2.817959 -2.221702 -0.210913
H -1.985510 -3.250302 -1.418406
H -3.047257 -4.003300 -0.187859


